2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide

C18H21ClN2O3S — CID 9190635

IUPAC2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1CN1CCOCC1)c1ccccc1Cl
InChIInChI=1S/C18H21ClN2O3S/c19-17-7-3-4-8-18(17)25(22,23)20-13-15-5-1-2-6-16(15)14-21-9-11-24-12-10-21/h1-8,20H,9-14H2
InChIKeyYOGIOSUBXREBHR-UHFFFAOYSA-N
MW380.90 g/mol
LogP2.65
Rot. Bonds6

About 2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide

2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 9190635) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
PubChem CID9190635
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1CN1CCOCC1)c1ccccc1Cl
InChIInChI=1S/C18H21ClN2O3S/c19-17-7-3-4-8-18(17)25(22,23)20-13-15-5-1-2-6-16(15)14-21-9-11-24-12-10-21/h1-8,20H,9-14H2
InChIKeyYOGIOSUBXREBHR-UHFFFAOYSA-N
XLogP2.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 9190612
4-methylsulfonyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 31534702
2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]ethanesulfonamide
CID 107650766
2,5-dimethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 27665440
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 9190592
2-chloro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 122255045
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide
CID 18197798
2-nitro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 38258386
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropanamine
CID 62439214
1-acetyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 26531392
2-(2-chlorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 51207846
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 90938157

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide (CID 9190635) is 2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide is O=S(=O)(NCc1ccccc1CN1CCOCC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is YOGIOSUBXREBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c19-17-7-3-4-8-18(17)25(22,23)20-13-15-5-1-2-6-16(15)14-21-9-11-24-12-10-21/h1-8,20H,9-14H2.
What are the key properties of 2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide?
2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 380.90 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 9190635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).